[Wien] w2w: error while processing def

bangxing bangxingli at 163.com
Fri May 18 15:22:58 CEST 2018


Dear all
   When I execute the code x w2w -p, the following error will come. 


[root at sciencehost NdGaO3]# x w2w -p
/opt/WIEN2K/17.1/w2w: error while processing def file `w2w.def': file not found, unit 51, file /root/cal/NdGaO3/NdGaO3.fermi
0.018u 0.013s 0:00.03 66.6%     0+0k 0+8io 0pf+0w


[root at sciencehost NdGaO3]# vim w2w.def
  5,'NdGaO3.inwf',       'old',    'formatted',  0
  6,'NdGaO3.outputwf',   'unknown','formatted',  0
  7,'NdGaO3.amn',     'unknown','formatted',  0
  8,'NdGaO3.mmn',     'unknown','formatted',  0
 10,'./NdGaO3.vector','old','unformatted',0
 11,'NdGaO3.nnkp',           'old',    'formatted',  0
 12,'NdGaO3.eig',            'unknown','formatted',  0
 18,'NdGaO3.vsp',        'old',    'formatted',  0
 20,'NdGaO3.struct',         'old',    'formatted',  0
 50,'NdGaO3.energy', 'old', 'formatted', 0
 51,'NdGaO3.fermi'       'old',    'formatted',  0
~
After the run_lapw, why there isn't  NdGaO3.fermi file? But during my calculationg, there have no error.

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20180518/631ed790/attachment.html>


More information about the Wien mailing list